2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

C8H4F12O — CID 12730902

IUPAC2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c9-4(10,8(18,19)20)5(11)3(1-2-21-5,6(12,13)14)7(15,16)17/h1-2H2
InChIKeyWUGSXJKFNFYKOC-UHFFFAOYSA-N
MW344.10 g/mol
LogP4.38
Rot. Bonds1

About 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (PubChem CID 12730902) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
PubChem CID12730902
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c9-4(10,8(18,19)20)5(11)3(1-2-21-5,6(12,13)14)7(15,16)17/h1-2H2
InChIKeyWUGSXJKFNFYKOC-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Furan, 2,2,3,3,4,4-hexafluorotetrahydro-5-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-
CID 116761
3-(Heptafluoropropyl)oxolane
CID 71345323
2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 12626888
Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
2,3,3-Trifluoro-2,4,4-tris(trifluoromethyl)tetrahydro-2H-pyran
CID 12730904
2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
2-(1,2-Difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
CID 58813259
4,5-Bis(1,1-difluoroethyl)-2,2,3,3,4-pentafluorooxolane
CID 59288803
2-(1,1-Difluoroethyl)-2,3,4,5-tetrafluoro-3-(fluoromethyl)oxolane
CID 89125653

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The IUPAC name of 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (CID 12730902) is 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)C1(F)OCCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The InChIKey is WUGSXJKFNFYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c9-4(10,8(18,19)20)5(11)3(1-2-21-5,6(12,13)14)7(15,16)17/h1-2H2.
What are the key properties of 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane has a molecular weight of 344.10 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 12730902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).